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Title: A new paradigm for petascale Monte Carlo simulation: Replica exchange Wang Landau sampling

We introduce a generic, parallel Wang Landau method that is naturally suited to implementation on massively parallel, petaflop supercomputers. The approach introduces a replica-exchange framework in which densities of states for overlapping sub-windows in energy space are determined iteratively by traditional Wang Landau sampling. The advantages and general applicability of the method are demonstrated for several distinct systems that possess discrete or continuous degrees of freedom, including those with complex free energy landscapes and topological constraints.
 [1] ;  [2] ;  [3] ;  [4]
  1. ORNL
  2. Los Alamos National Laboratory (LANL)
  3. Swiss Federal Research Institute, Switzerland
  4. University of Georgia, Athens, GA
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Conference: XXV IUPAP Conference on Computational Physics 2013, Moscow, Russian Fed., 20130820, 20130824
Research Org:
Oak Ridge National Laboratory (ORNL); Oak Ridge Leadership Computing Facility (OLCF)
Sponsoring Org:
SC USDOE - Office of Science (SC)
Country of Publication:
United States